Tag: M.W=150-200

Russell, D. H. published the artcileThe chemistry of C6H6O radical cations: a study of rearrangement reactions of halogen substituted ethyl phenyl ethers, Recommanded Product: (2-Chloroethoxy)benzene, the main research area is mass spectra phenoxyethyl halide; phenol ion mass spectra; cyclohexadienone ion mass spectra; rearrangement ethyl phenyl ether.

Exptl. data are reported on the rearrangement of phenoxyethyl halides to give [C6H6O]•+ (I) and the results compared with previous data. Determination of the metastable kinetic-energy release for mol. ions which decompose at low energy indicated that I formation occurs via competitive 1,2- and 1,3-H shifts from the alkyl C to O, followed by rate-determining C-O bond cleavage. For more highly activated mol. ions, rearrangement involves transfer of the alkyl H to the ortho position of the ring via a rate-determining 1,5-shift, followed by a 1,3-H shift from the o-methylene group to O and rapid C-O bond cleavage. More highly activated mol. ions produce I, which can undergo metastable decomposition to lose CO; kinetic-energy measurements for the latter reaction indicated that the majority of these I ions were also formed as PhOH ions.

Organic Mass Spectrometry published new progress about Mass spectra. 622-86-6 belongs to class ethers-buliding-blocks, name is (2-Chloroethoxy)benzene, and the molecular formula is C8H9ClO, Recommanded Product: (2-Chloroethoxy)benzene.

Referemce:
Ether – Wikipedia,
Ether | (C2H5)2O – PubChem

Titan, S. M. published the artcileMetabolites related to eGFR: Evaluation of candidate molecules for GFR estimation using untargeted metabolomics, Application In Synthesis of 121-00-6, the main research area is metabolite eGFR untargeted metabolomics; CKD; GFR; Metabolomics.

Metabolomics can be used to identify novel metabolites related to renal function and that could therefore be used for estimating GFR. We evaluated metabolites replicated and related to eGFR in 3 studies (CKD and general population). Metabolomics was performed by GC-MS. The Progredir Cohort (n = 454, class 3 and 4 CKD) was used as the derivation study and adjusted linear regression models on eGFR-CKDEPI were built. Bonferroni correction was applied for selecting metabolites to be independently validated in the Diabetic Nephropathy Study (n = 56, macroalbuminuric DN) and in the Baependi Heart Study (BHS, n = 1145, general population). In the Progredir Cohort, 72 metabolites where associated with eGFR. Of those, 11 were also significantly associated to eGFR in the DN Study and 8 in the BHS. Four metabolites were replicated and significantly associated to eGFR in all 3 studies: D-threitol, myo-inositol, 4-deoxierythronic acid and galacturonic acid. In addition, pseudouridine was strongly correlated to eGFR only in the 2 CKD populations. Our results demonstrate metabolites that are potential biomarkers of renal function: D-threitol, myo-inositol, 4-deoxierythronic acid, galacturonic acid and pseudouridine. Further investigation is needed to determine their performance against otherwise gold-standard methods, most notably among those with normal eGFR.

Clinica Chimica Acta published new progress about Albuminuria. 121-00-6 belongs to class ethers-buliding-blocks, name is 4-Hydroxy-3-tert-butylanisole, and the molecular formula is C11H16O2, Application In Synthesis of 121-00-6.

Referemce:
Ether – Wikipedia,
Ether | (C2H5)2O – PubChem

Alhambra, Cristobal published the artcileDevelopment and SAR of functionally selective allosteric modulators of GABAA receptors, Related Products of ethers-buliding-blocks, the main research area is cinnoline quinoline derivative preparation GABAA receptor selectivity allosteric modulator; structure activity relationship cinnoline quinoline GABAA receptor modulator.

Pos. modulators at the benzodiazepine site of α2- and α3-containing GABAA receptors are believed to be anxiolytic. Through oocyte voltage clamp studies, two series of compounds have been discovered that are pos. modulators at α2-/α3-containing GABAA receptors and that show no functional activity at α1-containing GABAA receptors. Studies to improve this functional selectivity and ultimately deliver clin. candidates are reported. The functional SAR of cinnolines and quinolines that are pos. allosteric modulators of the α2- and α3-containing GABAA receptors, while simultaneously neutral antagonists at α1-containing GABAA receptors, is described. Such functionally selective modulators of GABAA receptors are expected to be useful in the treatment of anxiety and other psychiatric illnesses.

Bioorganic & Medicinal Chemistry published new progress about Allosterism. 127972-00-3 belongs to class ethers-buliding-blocks, name is 2-Methoxy-5-methylphenylboronic acid, and the molecular formula is C8H11BO3, Related Products of ethers-buliding-blocks.

Referemce:
Ether – Wikipedia,
Ether | (C2H5)2O – PubChem

Cid, Jose Maria published the artcileDiscovery of 1,5-Disubstituted Pyridones: A New Class of Positive Allosteric Modulators of the Metabotropic Glutamate 2 Receptor, HPLC of Formula: 622-86-6, the main research area is metabotropic glutamate mGluR2 PAM modulator allosteric; pyridone derivative SAR preparation; PAM; allosteric; glutamate; mGluR2; metabotropic; modulators.

A series of 1,5-disubstituted pyridones was identified as pos. allosteric modulators (PAMs) of the metabotropic glutamate receptor 2 (mGluR2) via high throughput screening (HTS). Subsequent SAR exploration led to the identification of several compounds with improved in vitro activity. Lead compound 8 (I) was further profiled and found to attenuate the increase in PCP induced locomotor activity in mice.

ACS Chemical Neuroscience published new progress about Allosterism. 622-86-6 belongs to class ethers-buliding-blocks, name is (2-Chloroethoxy)benzene, and the molecular formula is C8H9ClO, HPLC of Formula: 622-86-6.

Referemce:
Ether – Wikipedia,
Ether | (C2H5)2O – PubChem

Sun, Zhendong published the artcile3-tert-Butyl-4-hydroxyanisole Impairs Hepatic Lipid Metabolism in Male Mice Fed with a High-Fat Diet, Recommanded Product: 4-Hydroxy-3-tert-butylanisole, the main research area is butyl hydroxyanisole liver lipid high fat diet; 3-tert-butyl-4-hydroxyanisole; food antioxidant; lipid homeostasis; nonalcoholic fatty liver disease; obesogen.

3-tert-Butyl-4-hydroxyanisole (3-BHA), one of the widely used food antioxidants, has been found to act as a potential obesogen by promoting adipogenesis in vitro and inducing white adipose tissue development in vivo. Whether 3-BHA-induced visceral obesity was accompanied by a disruption of hepatic lipid homeostasis in mammals remained unclear. In this study, we evaluated the effect of 3-BHA on the development of nonalcoholic fatty liver disease (NAFLD) in male C57BL/6J mice. After 18 wk of oral administration of 10 mg/kg 3-BHA, the mice fed with a high-fat diet (HFD) had higher hepatic triglyceride concentrations (0.32 mg/mg protein) and severer steatosis (1.57 for the NAFLD score) than the control ones. The in vivo hepatic lipid deposition disturbed by 3-BHA was transcriptionally regulated by the genes involved in lipid uptake, de novo lipogenesis, fatty acid oxidation, and lipid export. The in vitro studies further confirmed that 24 h of exposure to 50 μM 3-BHA could induce intracellular oleic acid (OA) uptake and triglyceride accumulation (1.5-fold of the OA control) in HepG2 cells. Lipidomic anal. indicated the perturbation of 3-BHA in the levels of 30 lipid species related to sphingolipids, glycerophospholipids, and glycerolipids under HFD conditions. The findings herein first revealed the disruption effect of 3-BHA on hepatic lipid homeostasis, thus exacerbating the development of HFD-induced NAFLD.

Environmental Science & Technology published new progress about Adipogenesis. 121-00-6 belongs to class ethers-buliding-blocks, name is 4-Hydroxy-3-tert-butylanisole, and the molecular formula is C11H16O2, Recommanded Product: 4-Hydroxy-3-tert-butylanisole.

Referemce:
Ether – Wikipedia,
Ether | (C2H5)2O – PubChem

Friedman, Adam A. published the artcileRh/Pd Catalysis with Chiral and Achiral Ligands: Domino Synthesis of Aza-Dihydrodibenzoxepines, Safety of 2-Methoxy-5-methylphenylboronic acid, the main research area is palladium rhodium ligand domino tandem reaction; chemoselectivity; domino catalysis; enantioselectivity; heterocycles; multi-catalytic reactions.

Under optimized reaction conditions, the synthesis of the target compounds was achieved using bis[(1,2,5,6-η)-1,5-cyclooctadiene]di-μ-hydroxydirhodium, palladium(II) acetate and bis(1,1-dimethylethyl)[2′,4′,6′-tris(1-methylethyl)[1,1′-biphenyl]-2-yl]phosphine as catalyst combination. Di-μ-chlorobis(η2-ethene)dirhodium was also used as a catalyst. Reactants included (ethenyl)pyridine derivatives, such as 3-chloro-2-ethenyl-5-(trifluoromethyl)pyridine, 5-chloro-6-ethenyl-3-pyridinecarbonitrile. Reactants inlcuded 2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenol derivatives The title compounds thus formed included benzoxepinopyridine derivative (I) and related substances [pyrido[3,2-b][1]benzoxepine derivatives]. Par.

Angewandte Chemie, International Edition published new progress about Alkenylation. 127972-00-3 belongs to class ethers-buliding-blocks, name is 2-Methoxy-5-methylphenylboronic acid, and the molecular formula is C8H11BO3, Safety of 2-Methoxy-5-methylphenylboronic acid.

Referemce:
Ether – Wikipedia,
Ether | (C2H5)2O – PubChem

Bin Shi published the artcileStudy on UV Spectrum and Antioxidant Properties of 3-tert-Butyl-4-hydroxyanisole Molecule, Quality Control of 121-00-6, the main research area is butyl hydroxyanisole atomic charge bond energy excited state antioxidant.

Abstract: Based on DFT, B3LYP method was used to optimize the structure of 3-tert-butyl-4-hydroxyanisole (BHA) mol. at the level of 6-311g(d,p) set level. On this basis, the first 50 excited states were calculated by using B3LYP/def 2-TZVP method based on TD-DFT with ethanol as solvent. Multiwfn 3.6 software was used to plot the UV spectrum, and three methods including at. charges, Fukui function (FF) and electrostatic potential (ESP) were used to predict its electrophilic reactive sites. Finally, bond energy of O10-H11 and C12-O13 were investigated by the ωB97XD/TZVP method. Comparing the exptl. and theor. UV spectra, it was found that the overall agreement was good. The oxygen atom on the phenolic hydroxyl group and the oxygen atom on the ether bond are the electrophilic reactive sites. And the C12-O13 bond on the ether bond is more prone to dissociation They are easily reacted with peroxide radicals to have oxidation resistance.

Russian Journal of Physical Chemistry A published new progress about Antioxidants. 121-00-6 belongs to class ethers-buliding-blocks, name is 4-Hydroxy-3-tert-butylanisole, and the molecular formula is C11H16O2, Quality Control of 121-00-6.

Referemce:
Ether – Wikipedia,
Ether | (C2H5)2O – PubChem

Schmatz, Alison Andrei published the artcileLignin Removal and Cellulose Digestibility Improved by Adding Antioxidants and Surfactants to Organosolv Pretreatment of Sugarcane Bagasse, COA of Formula: C11H16O2, the main research area is lignin cellulose digestibility antioxidant surfactant organosolv sugarcane bagasse.

Annually, tons of sugarcane bagasse are generated in the sugar and alc. industries. This biomass has great potential in the use of converting cellulose into glucose, an energy currency for various biotechnol. processes. However, lignin content is a limiting factor in cellulose accessibility. This study aimed to improve lignin removal by evaluating the additive’s effect on biomass pretreatment. The additives were tert-butylhydroquinone, 3-tert-butyl-4-hydroxyanisole, Me 3,4,5-trihydroxybenzoate; surfactants Tween 20, Tween 80, and DMSO (DMSO). The antioxidants collaborated with lignin removal; the 3-tert-butyl-4-hydroxyanisole reached 71% of lignin removal. Inherent to the pretreatment, tert-butylhydroquinone showed 23.53% and 89.54% of cellulose and hemicellulose removal, resp. Dioxane extraction compounds from the pretreated biomass showed an increased amount using additives, suggesting more compounds adsorbed on the material surface. All the antioxidants/surfactants applied to the organosolv pretreatment improved enzymic hydrolysis, reaching 98.9% cellulose into glucose conversion (Tween 80). The use of chem. compounds during pretreatment beneficed the removal of lignin from biomass and consequently the cellulose hydrolysis.

BioEnergy Research published new progress about Antioxidants. 121-00-6 belongs to class ethers-buliding-blocks, name is 4-Hydroxy-3-tert-butylanisole, and the molecular formula is C11H16O2, COA of Formula: C11H16O2.

Referemce:
Ether – Wikipedia,
Ether | (C2H5)2O – PubChem

Tang, Shuqin published the artcilePrenatal Exposure to Emerging Plasticizers and Synthetic Antioxidants and Their Potency to Cross Human Placenta, COA of Formula: C11H16O2, the main research area is plasticizer antioxidant placenta permeation prenatal exposure pregnancy; molecular descriptor; plasticizers; prenatal exposure; synthetic antioxidants; transplacental transfer.

Gestational exposure to environmental chems. and subsequent permeation through the placental barrier represents potential health risks to both pregnant women and their fetuses. In the present study, we explored prenatal exposure to a suite of 46 emerging plasticizers and synthetic antioxidants (including five transformation products of 2,6-di-tert-butyl-4-hydroxytoluene, BHT) and their potency to cross human placenta based on a total of 109 maternal and cord serum pairs. Most of these chems. have rarely or never been investigated for prenatal exposure and associated health risks. Eleven of them exhibited detection frequency greater than 50% in maternal blood, including di-Bu fumarate (DBF), 2,6-di-tert-butylphenol (2,4-DtBP), 1,3-diphenylguanidine (DPG), methyl-2-(benzoyl)benzoate (MBB), tri-Et citrate (TEC), BHT, and its five metabolites, with a median concentration from 0.05 to 3.1 ng/mL. The transplacental transfer efficiency (TTE) was determined for selected chems. with valid measurements in more than 10 maternal/cord blood pairs, and the mean TTEs exhibited a large variation (i.e., 0.29-2.14) between chems. The determined TTEs for some of the target chems. were comparable to the predicted values by our previously proposed models developed from mol. descriptors, indicating that their transplacental transfer potency could be largely affected by physicochem. properties and mol. structures. However, addnl. biol. and physiol. factors may influence the potency of environmental chems. to cross human placenta. Overall, our study findings raise concern on human exposure to an increasing list of plastic additives during critical life stages (e.g., pregnancy) and potential health risks.

Environmental Science & Technology published new progress about Antioxidants. 121-00-6 belongs to class ethers-buliding-blocks, name is 4-Hydroxy-3-tert-butylanisole, and the molecular formula is C11H16O2, COA of Formula: C11H16O2.

Referemce:
Ether – Wikipedia,
Ether | (C2H5)2O – PubChem

EFSA Panel on Additives and Products or Substances used in Animal Feed published the artcileSafety and efficacy of a feed additive consisting of butylated hydroxyanisole ( BHA ) for use in cats ( FEDIAF ), Category: ethers-buliding-blocks, the main research area is review safety butylated hydroxyanisole feed additive cat; BHA; antioxidants; butylated hydroxyanisole; cats; efficacy; safety; technological additive.

Following a request from the European Commission, the Panel on additives and products or substances used in animal feed ( FEEDAP ) was asked to deliver a scientific opinion on the safety and efficacy of butylated hydroxy anisole ( BHA ) when used as a technol. additive (antioxidant) in feed for cats. BHA is a waxy solid consisting for > 98.5% of the active substance, a mixture of 3-tert-butyl-4-hydroxyanisole and 2-tert-butyl-4-hydroxyanisole and is currently authorised for use in all animal species except in cats. In support of the safety of the additive for the target species, the applicant has submitted a tolerance study which demonstrated that BHA is tolerated by cats at a concentration up to 150 mg/kg complete feed. The additive should be considered a skin, eye irritant and a potential skin sensitizer. Exposure of the user via inhalation was considered unlikely; therefore, a risk is not expected. BHA is authorised as an antioxidant for food use at comparable use levels; therefore, no studies were required to demonstrate the efficacy of BHA as an antioxidant in complete feed for cats.

EFSA Journal published new progress about Antioxidants. 121-00-6 belongs to class ethers-buliding-blocks, name is 4-Hydroxy-3-tert-butylanisole, and the molecular formula is C11H16O2, Category: ethers-buliding-blocks.

Referemce:
Ether – Wikipedia,
Ether | (C2H5)2O – PubChem